
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.9509   -3.9610   -0.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4699   -2.5205   -0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3884    0.0626   -0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -1.1870   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715    1.0605   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6082    1.2227   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -1.2381   -0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2882    2.5417   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362    3.6806   -0.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4014   -0.1435   -0.0798 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5107    2.6203   -0.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764   -2.4945   -0.0638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -4.6066   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0177   -4.3397    0.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332   -4.0470   -1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4063   -2.1645   -1.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1815   -1.9053   -0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744    0.1273   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -2.0995   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4550    1.9016   -0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680    3.7320   -0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503    4.5529   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  3  2  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  7 10  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <ID>
Z458894644

>  <Barcode>
0110706023

>  <Well>
C01

>  <Plate_ID>
816280-03

>  <MW>
166.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N2O2/c1-2-12-7-4-3-6(5-10-7)8(9)11/h3-5H,2H2,1H3,(H2,9,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	11
3	C	7
4	C	9
5	C	4
6	C	1
7	C	5
8	C	2
9	N	8
10	N	3
11	O	6
12	O	10
13	H	20
14	H	22
15	H	21
16	H	18
17	H	19
18	H	14
19	H	17
20	H	13
21	H	15
22	H	16


> <ALATIS_Mixture_Map>

$$$$
